N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

C29H28ClF3N4O4S — CID 23122921

IUPACN-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(COc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C29H28ClF3N4O4S/c1-37-12-9-19(10-13-37)17-40-26-14-20(6-7-23(26)30)18-41-28-25(15-21-16-34-11-8-24(21)35-28)36-42(38,39)27-5-3-2-4-22(27)29(31,32)33/h2-8,11,14-16,19,36H,9-10,12-13,17-18H2,1H3
InChIKeyORZNCGKAFLYJHP-UHFFFAOYSA-N
MW621.08 g/mol
LogP6.40
Rot. Bonds9

About N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 23122921) has the molecular formula C29H28ClF3N4O4S and a molecular weight of 621.08 g/mol. Its IUPAC name is N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID23122921
Molecular FormulaC29H28ClF3N4O4S
Molecular Weight621.08 g/mol
Exact Mass620.15
IUPAC NameN-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(COc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C29H28ClF3N4O4S/c1-37-12-9-19(10-13-37)17-40-26-14-20(6-7-23(26)30)18-41-28-25(15-21-16-34-11-8-24(21)35-28)36-42(38,39)27-5-3-2-4-22(27)29(31,32)33/h2-8,11,14-16,19,36H,9-10,12-13,17-18H2,1H3
InChIKeyORZNCGKAFLYJHP-UHFFFAOYSA-N
XLogP6.40
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.08
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Chloro-6-(quinolin-3-yloxy)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 24852802
N-(5-Chloro-6-(quinolin-3-yloxy)pyridin-3-yl)-3,4-difluorobenzenesulfonamide
CID 24852805
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2-methylbenzenesulfonamide
CID 71449547
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 71449548
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71454897
N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122540
N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122559
N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]quinolin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122676
N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122680
N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]quinolin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122732
N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 23122754
N-(5-Chloro-6-(quinolin-3-yloxy)pyridin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 24852700

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 23122921) is N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is CN1CCC(COc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ORZNCGKAFLYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O4S/c1-37-12-9-19(10-13-37)17-40-26-14-20(6-7-23(26)30)18-41-28-25(15-21-16-34-11-8-24(21)35-28)36-42(38,39)27-5-3-2-4-22(27)29(31,32)33/h2-8,11,14-16,19,36H,9-10,12-13,17-18H2,1H3.
What are the key properties of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 621.08 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23122921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).